(3-propan-2-ylphenyl) 4-(2-dimethylaminoethyloxy)-2,3-dimethyl-3-nitrososulfanyl-butanoate

Systemtic Name: (3-propan-2-ylphenyl) 4-(2-dimethylaminoethyloxy)-2,3-dimethyl-3-nitrososulfanyl-butanoate Openeye Name: (3-isopropylphenyl) 4-(2-dimethylaminoethyloxy)-2,3-dimethyl-3-nitrososulfanyl-butanoate CAS Name: 4-(2-dimethylaminoethyloxy)-2,3-dimethyl-3-(nitrosothio)butanoic acid (3-propan-2-ylphenyl) ester IUPAC Name: (3-propan-2-ylphenyl) 4-(2-dimethylaminoethyloxy)-2,3-dimethyl-3-nitrososulfanylbutanoate Traditional Name: 4-(2-dimethylaminoethyloxy)-2,3-dimethyl-3-(nitrosothio)butyric acid m-cumenyl ester Formula: C19H30N2O4S MolecularWeight: 382.5175

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=CC=C1)OC(=O)C(C)C(C)(COCCN(C)C)SN=O

Isomeric SMILES

CC(C)C1=CC(=CC=C1)OC(=O)C(C)C(C)(COCCN(C)C)SN=O

InChI

InChI=1S/C19H30N2O4S/c1-14(2)16-8-7-9-17(12-16)25-18(22)15(3)19(4,26-20-23)13-24-11-10-21(5)6/h7-9,12,14-15H,10-11,13H2,1-6H3